Cas no 1093211-85-8 (1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine)

1-[(2,2-Difluoro-1,3-benzodioxol-5-yl)methyl]piperazine is a fluorinated heterocyclic compound featuring a benzodioxole core substituted with a difluoromethyl group and a piperazine moiety. Its unique structure imparts potential utility as an intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of bioactive molecules. The presence of fluorine atoms enhances metabolic stability and lipophilicity, which may improve pharmacokinetic properties in drug candidates. The piperazine ring offers versatility for further functionalization, enabling diverse derivatization pathways. This compound is suited for applications requiring precise molecular modifications, such as CNS-targeting agents or enzyme inhibitors, where electronic and steric properties are critical. Handling should adhere to standard safety protocols for fluorinated and heterocyclic compounds.
1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine structure
1093211-85-8 structure
Product Name:1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine
CAS No:1093211-85-8
MF:C12H14F2N2O2
MW:256.248569965363
CID:1187158
PubChem ID:66553702
Update Time:2025-11-02

1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine Chemical and Physical Properties

Names and Identifiers

    • 1-[(2,2-Difluoro-1,3-benzodioxol-5-yl)methyl]piperazine
    • CTK4C0374
    • ACMC-1C5O8
    • SureCN1347343
    • PC1955
    • 5-Acetyl-2,2-difluoro-1,3-benzodioxole
    • Ethanone,1-(2,2-difluoro-1,3-benzodioxol-5-yl)-
    • 1-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-ethanone
    • PubChem13225
    • 1-(2,2-difluoro-benzo[1,3]dioxol-5-ylmethyl)-piperazine
    • 1-(2,2-difluorobenzo[1,3]dioxol-5-ylmethyl)piperazine
    • Difluoromethylenedioxybenzylpiperazine
    • DTXSID001342023
    • 1-[(2,2-Difluoro-1,3-benzodioxol-5-yl)-Methyl]piperazine
    • 1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]piperazine
    • UNII-ECS4JU9S88
    • DB-MDBP
    • ECS4JU9S88
    • SB18101
    • SCHEMBL2593627
    • DF-MDBP
    • Difluoro-methylene-dioxybenzyl-piperazine
    • 1093211-85-8
    • Piperazine, 1-((2,2-difluoro-1,3-benzodioxol-5-yl)methyl)-
    • 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine
    • Inchi: 1S/C12H14F2N2O2/c13-12(14)17-10-2-1-9(7-11(10)18-12)8-16-5-3-15-4-6-16/h1-2,7,15H,3-6,8H2
    • InChI Key: MPZINTHEMFDGTH-UHFFFAOYSA-N
    • SMILES: FC1(OC2=CC=C(C=C2O1)CN1CCNCC1)F

Computed Properties

  • Exact Mass: 256.10233402g/mol
  • Monoisotopic Mass: 256.10233402g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 298
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 33.7?2

1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1548156-250mg
1-((2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methyl)piperazine
1093211-85-8 98%
250mg
¥2074.00 2024-08-09

Additional information on 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine

Comprehensive Overview of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine (CAS No. 1093211-85-8)

1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine (CAS No. 1093211-85-8) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound features a unique benzodioxol core substituted with difluoro groups and a piperazine moiety, making it a versatile building block for drug discovery and material science applications. Its molecular structure combines aromaticity with nitrogen-based functionality, offering a balance of stability and reactivity that is highly sought after in modern synthetic chemistry.

The growing interest in 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine stems from its potential applications in central nervous system (CNS) drug development. Researchers are particularly intrigued by its structural similarity to known bioactive compounds that interact with neurotransmitter systems. The difluoro-benzodioxol component enhances metabolic stability, while the piperazine group provides excellent solubility and binding properties, making this compound a promising candidate for further pharmacological studies.

In recent years, CAS 1093211-85-8 has emerged as a key intermediate in the synthesis of novel antidepressant and antipsychotic compounds. The pharmaceutical industry's focus on developing more effective neuropsychiatric medications with fewer side effects has driven demand for such specialized building blocks. The compound's fluorinated aromatic system contributes to improved blood-brain barrier penetration, a critical factor in CNS drug design, while the piperazine tail allows for diverse structural modifications to optimize receptor binding.

From a chemical perspective, 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine demonstrates remarkable stability under various conditions, making it suitable for diverse synthetic applications. The difluoro substitution on the benzodioxol ring enhances electron-withdrawing properties without significantly increasing molecular weight, an important consideration in drug design. Meanwhile, the piperazine nitrogen atoms offer multiple sites for further functionalization, enabling the creation of compound libraries for high-throughput screening.

The synthesis of CAS 1093211-85-8 typically involves multi-step organic reactions starting from commercially available precursors. Modern synthetic approaches emphasize atom economy and green chemistry principles, reflecting the pharmaceutical industry's commitment to sustainable practices. Researchers have developed optimized routes that minimize hazardous byproducts while maintaining high yields of this valuable intermediate.

Analytical characterization of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine employs advanced techniques including NMR spectroscopy, mass spectrometry, and HPLC purity analysis. These methods confirm the compound's structural integrity and ensure it meets the stringent quality standards required for pharmaceutical applications. The presence of both fluorine atoms and nitrogen heterocycles provides distinctive spectroscopic signatures that facilitate precise identification and quantification.

Beyond pharmaceutical applications, CAS 1093211-85-8 has shown promise in materials science, particularly in the development of specialty polymers and liquid crystals. The compound's rigid aromatic core combined with flexible amine functionality makes it an interesting monomer for creating materials with unique thermal and optical properties. Researchers are exploring its potential in organic electronics and advanced coatings, where fluorinated aromatic compounds often exhibit superior performance characteristics.

The commercial availability of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine has expanded in recent years to meet growing research demand. Suppliers typically offer this compound with various purity grades, from technical grade for material science applications to pharmaceutical grade for drug development purposes. Proper storage conditions (typically cool, dry environments protected from light) ensure long-term stability of this valuable chemical intermediate.

Regulatory considerations for CAS 1093211-85-8 vary by region and application. While not classified as hazardous under standard regulations, researchers should consult current chemical safety guidelines when handling this compound. Standard laboratory precautions including proper ventilation and personal protective equipment are recommended when working with this or any chemical substance.

Future research directions for 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine include exploration of its potential in targeted drug delivery systems and bioconjugation chemistry. The compound's modular structure lends itself well to these cutting-edge applications, particularly in the development of theranostic agents that combine therapeutic and diagnostic capabilities. As synthetic methodologies continue to advance, we can expect to see novel derivatives of this scaffold with enhanced biological activities and material properties.

The scientific literature contains numerous references to CAS 1093211-85-8 and related structures, reflecting the compound's importance in contemporary research. Recent publications have highlighted its use in medicinal chemistry programs targeting various neurological disorders, as well as its application in catalysis and materials engineering. These studies collectively demonstrate the versatility and potential of this fascinating chemical entity.

For researchers seeking to work with 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine, it's essential to source high-quality material from reputable suppliers. Key specifications to evaluate include chemical purity, isomeric composition, and residual solvent content. Many suppliers now provide comprehensive analytical data packages to support research and development efforts involving this compound.

In conclusion, CAS 1093211-85-8 represents an important addition to the toolkit of synthetic and medicinal chemists. Its unique combination of fluorinated aromatic and piperazine moieties offers numerous opportunities for innovation in drug discovery and materials science. As research into this compound and its derivatives continues to expand, we anticipate significant advancements stemming from applications of this versatile chemical scaffold.

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